Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | KMO | O15229 | 2/20 | 0.38 |
| ▸ | ALAD | P13716 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28627797 | 0.82 | KDM4E (0.63) | ALDH1A1HSD17B10SMN1; SMN2KDM4EPKM | |
| SCHEMBL11162751 | 0.73 | ALAD (0.40) | ALDH1A1CYP1A2CYP2C9HSD17B10SMN1; SMN2 | |
| SCHEMBL2465142 | 0.71 | TDP1 (0.54) | ALDH1A1CYP1A2CYP2C9SMN1; SMN2KDM4E | |
| SCHEMBL280388 | 0.71 | GRM6 (0.48) | ALDH1A1HSD17B10SMN1; SMN2KDM4EPKM | |
| SCHEMBL10994158 | 0.71 | MAPT (0.47) | ALDH1A1CYP1A2CYP2C9SMN1; SMN2KDM4E | |
| SCHEMBL29442604 | 0.71 | TDP1 (0.46) | ALDH1A1CYP1A2CYP2C9SMN1; SMN2KDM4E | |
| SCHEMBL121227 | 0.71 | TDP1 (0.46) | ALDH1A1CYP1A2CYP2C9SMN1; SMN2KDM4E | |
| SCHEMBL4676256 | 0.70 | CDH1 (0.57) | ALDH1A1CYP1A2CYP2C9SMN1; SMN2KDM4E | |
| SCHEMBL15488810 | 0.69 | DHODH (0.44) | ALDH1A1CYP1A2CYP2C9SMN1; SMN2KDM4E | |
| SCHEMBL2346052 | 0.69 | DHODH (0.46) | ALDH1A1CYP1A2CYP2C9SMN1; SMN2KDM4E |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118108744-A | Isothiazolopyrimidinone compounds, pharmaceutical compositions containing the same and uses thereof | 四川科伦博泰生物医药股份有限公司 | 2024-05-31 | — | — | CN | disclosed |
| CN-113087724-B | Isothiazolopyrimidinone compounds, pharmaceutical compositions containing the same and uses thereof | 四川科伦博泰生物医药股份有限公司 | 2024-01-19 | — | — | CN | disclosed |
| CN-113087724-A | Isothiazolopyrimidinones, pharmaceutical compositions containing the same and uses thereof | 四川科伦博泰生物医药股份有限公司 | 2021-07-09 | — | — | CN | disclosed |